SCHEMBL6410334

SCHEMBL6410334

COc1ccc(CC(=O)NC(CCN2CCC3(CC2)CCN(Cc2cccnc2)C3=O)c2ccccc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
CCR5 P51681 2/20 0.42
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
MAPT P10636 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6414847 0.99 SIGMAR1 (0.41) SIGMAR1CCR5RXFP1POLBHSD17B10
SCHEMBL6416494 0.92 MAPT (0.46) SIGMAR1CCR5POLBHCRTR2ROCK2
Hydrochloric Acid SCHEMBL6408952 0.91 MAPT (0.46) SIGMAR1CCR5POLBHCRTR2ROCK2
SCHEMBL6408495 0.91 CCR5 (0.50) SIGMAR1CCR5POLBHCRTR2ROCK2
Hydrochloric Acid SCHEMBL6415202 0.91 CCR5 (0.49) SIGMAR1CCR5POLBHCRTR2ROCK2
SCHEMBL6411451 0.91 MAPK1 (0.44) SIGMAR1CCR5POLBHCRTR2ROCK2
Hydrochloric Acid SCHEMBL6412418 0.90 MAPK1 (0.43) SIGMAR1CCR5POLBHCRTR2ROCK2
SCHEMBL6409525 0.90 CCR5 (0.48) SIGMAR1CCR5POLBROCK2ROCK1
SCHEMBL6416093 0.90 CCR5 (0.49) SIGMAR1CCR5ALDH1A1
SCHEMBL6409327 0.90 HCRTR2 (0.43) SIGMAR1CCR5HCRTR2ROCK2ROCK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 SIGMAR1 277/4885CCR5 4/4885RXFP1 41/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.